2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide

C22H28N2O2S — CID 7574872

IUPAC2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-27-13-20(25)23-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDWEUKIJZMGZFRQ-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.24
Rot. Bonds8

About 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 7574872) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID7574872
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-27-13-20(25)23-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDWEUKIJZMGZFRQ-UHFFFAOYSA-N
XLogP5.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
2-(3-cyanopropylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 96695118
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780802
2-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]sulfanyl-N-phenylacetamide
CID 7746770
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333269
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7994614
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 7574872) is 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is DWEUKIJZMGZFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-15(2)18-11-8-12-19(16(3)4)22(18)24-21(26)14-27-13-20(25)23-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 384.55 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 7574872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).